SCHEMBL8680363

SCHEMBL8680363

CCCCCN1c2ccc([N+](=O)[O-])cc2C(C)C12Oc1c(OC)cc([N+](=O)[O-])c([N+](=O)[O-])c1C=C2C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 2/20 0.30
CNR1 P21554 2/20 0.30
ACHE P22303 2/20 0.30
CNR2 P34972 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TTR P02766 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8680083 0.89 SMN1; SMN2 (0.32) LMNAMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL8681020 0.86 CBLB (0.33) LMNAMAPTHTTSMN1; SMN2CYP19A1
SCHEMBL8680235 0.73 MAPT (0.35) MAPTSMN1; SMN2ALDH1A1
SCHEMBL8680574 0.73 MAPK1 (0.33) LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8680042 0.71 CHRM2 (0.35) MAPTHTTCNR1ACHECNR2
SCHEMBL8680402 0.69 MAPT (0.41) LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8680397 0.67 MAPK1 (0.42) LMNAMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL10797090 0.66 CBLB (0.37) LMNAMAPTSMN1; SMN2
SCHEMBL8682626 0.65 MEN1 (0.49) LMNAMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL9156834 0.64 MAPK1 (0.39) LMNAMAPTHTTSMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed